Gibbane-1,10-dicarboxylic acid, 2,3,4a,5-tetrahydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,2β,3β,4aα,4bβ,5β,10β)-

CAS Registry Number®

68062-25-9
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CAS Name

Gibbane-1,10-dicarboxylic acid, 2,3,4a,5-tetrahydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,2β,3β,4aα,4bβ,5β,10β)-

Molecular Formula

C19H24O7

Molecular Mass

364.39

Cite this Page

Gibbane-1,10-dicarboxylic acid, 2,3,4a,5-tetrahydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,2β,3β,4aα,4bβ,5β,10β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68062-25-9 (retrieved 2024-09-19) (CAS RN: 68062-25-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H24O7/c1-7-4-18-5-8(7)3-9(20)12(18)19-6-10(21)14(22)17(2,16(25)26-19)13(19)11(18)15(23)24/h8-14,20-22H,1,3-6H2,2H3,(H,23,24)/t8?,9-,10-,11+,12+,13+,14-,17-,18+,19+/m0/s1

InChIKey

InChIKey=FKMJLJSSQHSAEF-GFVJXUJJSA-N

SMILES

O[C@@H]1[C@]2([C@]34[C@]([C@H](C(O)=O)[C@@]25CC(C1)(C(=C)C5)[H])([C@](C)(C(=O)O3)[C@@H](O)[C@@H](O)C4)[H])[H]

Canonical SMILES

O=C(O)C1C2C3(OC(=O)C2(C)C(O)C(O)C3)C4C(O)CC5C(=C)CC14C5

Other Names for this Substance

  • Gibbane-1,10-dicarboxylic acid, 2,3,4a,5-tetrahydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1α,2β,3β,4aα,4bβ,5β,10β)-
  • Gibberellin A50
  • GA50